N-(5-chloro-2-methoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0273 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 563.05 |
| Molecular Formula: | C23 H23 Cl N6 O5 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1cc(ccc1OC)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8299 |
| logD: | 2.8255 |
| logSw: | -3.5981 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.96 |
| InChI Key: | XUSVASBYWFJBDY-UHFFFAOYSA-N |